3-(3-bromophenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-(3-bromophenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-(3-bromophenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-(3-bromophenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-(3-bromophenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-(3-bromophenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C22H22BrNO MolecularWeight: 396.32018

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrNO/c1-22-13-6-5-12-19(22)20(17-10-7-11-18(23)14-17)24(21(22)25)15-16-8-3-2-4-9-16/h2-5,7-12,14,19-20H,6,13,15H2,1H3